(1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite

C16H31O3P — CID 69302484

IUPAC(1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite
SMILESCC(C)(OP(O)O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31O3P/c1-16(2,19-20(17)18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-15,17-18H,3-12H2,1-2H3
InChIKeyFGKYCIPIESNIMG-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.77
Rot. Bonds5

About (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite

(1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite (PubChem CID 69302484) has the molecular formula C16H31O3P and a molecular weight of 302.39 g/mol. Its IUPAC name is (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite.

Molecular Properties

Compound Name(1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite
PubChem CID69302484
Molecular FormulaC16H31O3P
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Name(1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite
SMILESCC(C)(OP(O)O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31O3P/c1-16(2,19-20(17)18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-15,17-18H,3-12H2,1-2H3
InChIKeyFGKYCIPIESNIMG-UHFFFAOYSA-N
XLogP4.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-dicyclohexylpropane-2,2-diol
CID 141350052
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989
2,4-dicyclohexylpentan-3-ylidenezirconium(2+)
CID 23078765
1-cyclopentylethylcyclohexane
CID 57034702
methane;propan-2-ylcyclotetradecane
CID 159882779
N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
CID 103029230
1-tert-butylsulfonylethylcyclohexane
CID 158143059
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 89281788
(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
CID 546182
1-cycloheptylpropane-1,2-diol
CID 103452573
3-cyclododecylbutan-2-ol
CID 10444334

Frequently Asked Questions

What is the IUPAC name of (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite?
The IUPAC name of (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite (CID 69302484) is (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite.
What is the SMILES notation for (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite?
The canonical SMILES for (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite is CC(C)(OP(O)O)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite?
The InChIKey is FGKYCIPIESNIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O3P/c1-16(2,19-20(17)18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite?
(1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite has a molecular weight of 302.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite is sourced from PubChem (CID 69302484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).